(1R,6R,8R,11S,23R,24R,25S)-16-methoxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-15(20),16,18-triene-13,21-dione

C23H26N2O5 — CID 163012788

IUPAC(1R,6R,8R,11S,23R,24R,25S)-16-methoxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-15(20),16,18-triene-13,21-dione
SMILESCOc1cccc2c1N1C(=O)C[C@@H]3OC[C@H]4O[C@]45CN(C)CC[C@@]24C(=O)C[C@@H]5[C@@H]3[C@H]14
InChIInChI=1S/C23H26N2O5/c1-24-7-6-22-12-4-3-5-14(28-2)20(12)25-18(27)9-15-19(21(22)25)13(8-16(22)26)23(11-24)17(30-23)10-29-15/h3-5,13,15,17,19,21H,6-11H2,1-2H3/t13-,15+,17-,19+,21+,22+,23+/m1/s1
InChIKeyIFOYLWILHMGLMS-BWBSXKQCSA-N
MW410.47 g/mol
LogP1.13
Rot. Bonds1

About (1R,6R,8R,11S,23R,24R,25S)-16-methoxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-15(20),16,18-triene-13,21-dione

(1R,6R,8R,11S,23R,24R,25S)-16-methoxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-15(20),16,18-triene-13,21-dione (PubChem CID 163012788) has the molecular formula C23H26N2O5 and a molecular weight of 410.47 g/mol. Its IUPAC name is (1R,6R,8R,11S,23R,24R,25S)-16-methoxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-15(20),16,18-triene-13,21-dione.

Molecular Properties

Compound Name(1R,6R,8R,11S,23R,24R,25S)-16-methoxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-15(20),16,18-triene-13,21-dione
PubChem CID163012788
Molecular FormulaC23H26N2O5
Molecular Weight410.47 g/mol
Exact Mass410.18
IUPAC Name(1R,6R,8R,11S,23R,24R,25S)-16-methoxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-15(20),16,18-triene-13,21-dione
SMILESCOc1cccc2c1N1C(=O)C[C@@H]3OC[C@H]4O[C@]45CN(C)CC[C@@]24C(=O)C[C@@H]5[C@@H]3[C@H]14
InChIInChI=1S/C23H26N2O5/c1-24-7-6-22-12-4-3-5-14(28-2)20(12)25-18(27)9-15-19(21(22)25)13(8-16(22)26)23(11-24)17(30-23)10-29-15/h3-5,13,15,17,19,21H,6-11H2,1-2H3/t13-,15+,17-,19+,21+,22+,23+/m1/s1
InChIKeyIFOYLWILHMGLMS-BWBSXKQCSA-N
XLogP1.13
TPSA71.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (1R,6R,8R,11S,23R,24R,25S)-16-methoxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-15(20),16,18-triene-13,21-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,6R,8R,11R,23R,24R,25S)-16,17-dimethoxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-15(20),16,18-triene-13,21-dione
CID 162940582
(1S,6R,8R,11R,23R,24R,25S)-16-hydroxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-15(20),16,18-triene-13,21-dione
CID 163082806
(1R,6R,8R,11S,23R,24R,25S)-16-hydroxy-17-methoxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-15(20),16,18-triene-13,21-dione
CID 162932556
23-hydroxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-15,17,19-triene-13,21-dione
CID 633892
16,23-dihydroxy-17-methoxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-11,15(20),16,18-tetraene-13,21-dione
CID 162974797
(3R,4aR,5aS,8aR,15aS,15bR)-3,4-dihydroxy-10,11-dimethoxy-2,3,4a,5,5a,7,8,13a,15,15a,15b,16-dodecahydro4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one
CID 134963219
(1S,9S,10R,13R,14S,21R)-8-acetyl-6-hydroxy-5-methoxy-13,16-dimethyl-12-oxa-8,16-diazapentacyclo[8.8.3.01,9.02,7.014,21]henicosa-2(7),3,5-trien-19-one
CID 162993815
12,20-dioxo-9-oxa-4,13-diazahexacyclo[11.6.5.01,24.06,22.010,23.014,19]tetracosa-6,14,16,18-tetraene-4-carbonitrile
CID 162933097
(4aS,5aS,8aS,13aR,15aR,15bS)-10,11-dimethoxy-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one
CID 98092585
(4aR,5aS,8aR,13aS,15aS,15bR)-10,11-dimethoxy-3,4a,5,5a,7,8,13a,15,15a,15b-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one
CID 16678010
(4aS,5aR,8aS,13aR,15aS,15bR)-10,11-dimethoxy-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one
CID 56845602
(5aS,8aR,13aS,15aS)-10,11-dimethoxy-3,4a,5,5a,7,8,13a,15,15a,15b-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one
CID 51020303

Frequently Asked Questions

What is the IUPAC name of (1R,6R,8R,11S,23R,24R,25S)-16-methoxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-15(20),16,18-triene-13,21-dione?
The IUPAC name of (1R,6R,8R,11S,23R,24R,25S)-16-methoxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-15(20),16,18-triene-13,21-dione (CID 163012788) is (1R,6R,8R,11S,23R,24R,25S)-16-methoxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-15(20),16,18-triene-13,21-dione.
What is the SMILES notation for (1R,6R,8R,11S,23R,24R,25S)-16-methoxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-15(20),16,18-triene-13,21-dione?
The canonical SMILES for (1R,6R,8R,11S,23R,24R,25S)-16-methoxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-15(20),16,18-triene-13,21-dione is COc1cccc2c1N1C(=O)C[C@@H]3OC[C@H]4O[C@]45CN(C)CC[C@@]24C(=O)C[C@@H]5[C@@H]3[C@H]14.
What is the InChIKey of (1R,6R,8R,11S,23R,24R,25S)-16-methoxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-15(20),16,18-triene-13,21-dione?
The InChIKey is IFOYLWILHMGLMS-BWBSXKQCSA-N. The full InChI is InChI=1S/C23H26N2O5/c1-24-7-6-22-12-4-3-5-14(28-2)20(12)25-18(27)9-15-19(21(22)25)13(8-16(22)26)23(11-24)17(30-23)10-29-15/h3-5,13,15,17,19,21H,6-11H2,1-2H3/t13-,15+,17-,19+,21+,22+,23+/m1/s1.
What are the key properties of (1R,6R,8R,11S,23R,24R,25S)-16-methoxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-15(20),16,18-triene-13,21-dione?
(1R,6R,8R,11S,23R,24R,25S)-16-methoxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-15(20),16,18-triene-13,21-dione has a molecular weight of 410.47 g/mol, XLogP of 1.13, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R,8R,11S,23R,24R,25S)-16-methoxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-15(20),16,18-triene-13,21-dione is sourced from PubChem (CID 163012788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).